UCSF

ZINC37110747

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 18 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.30 3.29 -54.99 3 4 1 65 271.406 5
Hi High (pH 8-9.5) 0.30 2.99 -7.76 2 4 0 63 270.398 5

Activity (Go SEA)

Rings

Analogs ( Draw Identity 99% 90% 80% 70% )